SCHEMBL27052015

SCHEMBL27052015

COc1c(C(F)(F)F)cc2nc(N)sc2c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SCN4A P35499 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP2C19 P33261 1/20 0.35
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
MPL P40238 3/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27052017 0.85 HSD17B10 (0.47) HSD17B10HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27051974 0.83 ILK (0.41) HSD17B10HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27051989 0.82 HSD17B10 (0.44) HSD17B10HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27051991 0.81 HSD17B10 (0.43) HSD17B10HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27051994 0.81 SMN1; SMN2 (0.47) HSD17B10SMN1; SMN2NPC1RAB9ASCN4A
SCHEMBL10333789 0.81 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2NPC1RAB9ASCN4A
SCHEMBL27052002 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ASCN4ACYP1A2
SCHEMBL27051891 0.79 CYP3A4 (0.38) HSD17B10HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27051986 0.79 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27051987 0.78 HPGD (0.41) HSD17B10HPGDSMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS HSD17B10 3313/4885HPGD 397/4885SMN1; SMN2 3857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.